p-Nitrobenzyl 7-amino-3-chloro-3-cephem-4-carboxylate hydrochloride
TL;DR: p-Nitrobenzyl 7-amino-3-chloro-3-cephem-4-carboxylate hydrochloride (CAS 53483-70-8) is a chemical compound with molecular formula C14H13Cl2N3O5S and molecular weight 405.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-nitrophenyl)methyl (6R,7R)-7-amino-3-chloro-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate;hydrochloride
Also Known As: EINECS 258-580-8, (6R,7R)-4-Nitrobenzyl 7-amino-3-chloro-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate hydrochloride, p-Nitrobenzyl 7-amino-3-chloro-3-cephem-4-carboxylate hydrochloride, (4-nitrophenyl)methyl (6R,7R)-7-amino-3-chloro-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate;hydrochloride, (4-nitrophenyl)methyl (6R,7R)-7-amino-3-chloro-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate hydrochloride
| Molecular Formula | C14H13Cl2N3O5S |
|---|---|
| Molecular Weight | 405.00 g/mol |
| LogP | 1.7526 |
| Topological Polar Surface Area | 115.77 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 404.9953 |
| Heavy Atoms | 25 |
| Complexity | 755.33905 |
Chemical Identifiers
| CAS Number | 53483-70-8 |
|---|---|
| SMILES | C1C(=C(N2[C@H](S1)[C@@H](C2=O)N)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])Cl.Cl |
Product Overview
p-Nitrobenzyl 7-amino-3-chloro-3-cephem-4-carboxylate hydrochloride (CAS 53483-70-8), with molecular formula C14H13Cl2N3O5S and molecular weight 405.00 g/mol. IUPAC: (4-nitrophenyl)methyl (6R,7R)-7-amino-3-chloro-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate;hydrochloride.
Chemical Property Profile of p-Nitrobenzyl 7-amino-3-chloro-3-cephem-4-carboxylate hydrochloride
Property Insights of p-Nitrobenzyl 7-amino-3-chloro-3-cephem-4-carboxylate hydrochloride
The XLogP value of 1.7526 suggests moderate lipophilicity, balancing water solubility and membrane permeability for p-Nitrobenzyl 7-amino-3-chloro-3-cephem-4-carboxylate hydrochloride. The TPSA of 115.77 Ų falls within the moderate polarity range, balancing permeability and solubility for p-Nitrobenzyl 7-amino-3-chloro-3-cephem-4-carboxylate hydrochloride. Following Lipinski's Rule of Five, p-Nitrobenzyl 7-amino-3-chloro-3-cephem-4-carboxylate hydrochloride has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of p-Nitrobenzyl 7-amino-3-chloro-3-cephem-4-carboxylate hydrochloride?
The CAS number of p-Nitrobenzyl 7-amino-3-chloro-3-cephem-4-carboxylate hydrochloride is 53483-70-8.
What is the molecular formula of p-Nitrobenzyl 7-amino-3-chloro-3-cephem-4-carboxylate hydrochloride?
The molecular formula of p-Nitrobenzyl 7-amino-3-chloro-3-cephem-4-carboxylate hydrochloride is C14H13Cl2N3O5S.
What is the molecular weight of p-Nitrobenzyl 7-amino-3-chloro-3-cephem-4-carboxylate hydrochloride?
The molecular weight of p-Nitrobenzyl 7-amino-3-chloro-3-cephem-4-carboxylate hydrochloride is 405.00 g/mol.
Where can I buy p-Nitrobenzyl 7-amino-3-chloro-3-cephem-4-carboxylate hydrochloride?
You can request a quote for p-Nitrobenzyl 7-amino-3-chloro-3-cephem-4-carboxylate hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for p-Nitrobenzyl 7-amino-3-chloro-3-cephem-4-carboxylate hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for p-Nitrobenzyl 7-amino-3-chloro-3-cephem-4-carboxylate hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.